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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 7' and Ligand = 'BDBM50151303'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50151303
PNG
(CHEMBL3770581)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H25Cl2FN4O3/c1-23(15-2-4-16(26)5-3-15)21(32)30(22(33)27-23)14-18(31)13-28-8-10-29(11-9-28)17-6-7-19(24)20(25)12-17/h2-7,12,18,31H,8-11,13-14H2,1H3,(H,27,33)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
141n/an/an/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50151303
PNG
(CHEMBL3770581)
Show SMILES CC1(NC(=O)N(CC(O)CN2CCN(CC2)c2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H25Cl2FN4O3/c1-23(15-2-4-16(26)5-3-15)21(32)30(22(33)27-23)14-18(31)13-28-8-10-29(11-9-28)17-6-7-19(24)20(25)12-17/h2-7,12,18,31H,8-11,13-14H2,1H3,(H,27,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40E+4n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT7 receptor expressed in HEK293 cells assessed as inhibition of 5-CT-induced cAMP production preincubated for 15 mins...


Eur J Med Chem 112: 258-69 (2016)


Article DOI: 10.1016/j.ejmech.2016.02.024
BindingDB Entry DOI: 10.7270/Q2KH0Q50
More data for this
Ligand-Target Pair